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Information card for entry 4512333
Preview
Coordinates | 4512333.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H15 N O4 |
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Calculated formula | C17 H15 N O4 |
SMILES | o1c2ccc3ccc(N(C)C)cc3c2cc(c1=O)C(=O)OC |
Title of publication | Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins |
Authors of publication | Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 12 |
Pages of publication | 6613 |
a | 6.456 ± 0.0003 Å |
b | 12.5261 ± 0.0004 Å |
c | 16.8967 ± 0.0006 Å |
α | 90.012 ± 0.002° |
β | 90.001 ± 0.002° |
γ | 89.974 ± 0.002° |
Cell volume | 1366.41 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.131 |
Residual factor for significantly intense reflections | 0.0858 |
Weighted residual factors for significantly intense reflections | 0.2377 |
Weighted residual factors for all reflections included in the refinement | 0.2753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4512333.html
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Users of the data should acknowledge the original authors of the
structural data.